N-cyclopropyl-1-[2-(ethylcarbamoylamino)-6-fluoro-1H-benzimidazol-5-yl]imidazole-4-carboxamide

C17H18FN7O2 — CID 21366124

IUPACN-cyclopropyl-1-[2-(ethylcarbamoylamino)-6-fluoro-1H-benzimidazol-5-yl]imidazole-4-carboxamide
SMILESCCNC(=O)Nc1nc2cc(-n3cnc(C(=O)NC4CC4)c3)c(F)cc2[nH]1
InChIInChI=1S/C17H18FN7O2/c1-2-19-17(27)24-16-22-11-5-10(18)14(6-12(11)23-16)25-7-13(20-8-25)15(26)21-9-3-4-9/h5-9H,2-4H2,1H3,(H,21,26)(H3,19,22,23,24,27)
InChIKeyULFIHHOZULSWER-UHFFFAOYSA-N
MW371.38 g/mol
LogP1.92
Rot. Bonds5

About N-cyclopropyl-1-[2-(ethylcarbamoylamino)-6-fluoro-1H-benzimidazol-5-yl]imidazole-4-carboxamide

N-cyclopropyl-1-[2-(ethylcarbamoylamino)-6-fluoro-1H-benzimidazol-5-yl]imidazole-4-carboxamide (PubChem CID 21366124) has the molecular formula C17H18FN7O2 and a molecular weight of 371.38 g/mol. Its IUPAC name is N-cyclopropyl-1-[2-(ethylcarbamoylamino)-6-fluoro-1H-benzimidazol-5-yl]imidazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-[2-(ethylcarbamoylamino)-6-fluoro-1H-benzimidazol-5-yl]imidazole-4-carboxamide
PubChem CID21366124
Molecular FormulaC17H18FN7O2
Molecular Weight371.38 g/mol
Exact Mass371.15
IUPAC NameN-cyclopropyl-1-[2-(ethylcarbamoylamino)-6-fluoro-1H-benzimidazol-5-yl]imidazole-4-carboxamide
SMILESCCNC(=O)Nc1nc2cc(-n3cnc(C(=O)NC4CC4)c3)c(F)cc2[nH]1
InChIInChI=1S/C17H18FN7O2/c1-2-19-17(27)24-16-22-11-5-10(18)14(6-12(11)23-16)25-7-13(20-8-25)15(26)21-9-3-4-9/h5-9H,2-4H2,1H3,(H,21,26)(H3,19,22,23,24,27)
InChIKeyULFIHHOZULSWER-UHFFFAOYSA-N
XLogP1.92
TPSA116.73 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.38
LogP ≤ 51.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-[2-(ethylcarbamoylamino)-6-fluoro-1H-benzimidazol-5-yl]imidazole-4-carboxamide?
The IUPAC name of N-cyclopropyl-1-[2-(ethylcarbamoylamino)-6-fluoro-1H-benzimidazol-5-yl]imidazole-4-carboxamide (CID 21366124) is N-cyclopropyl-1-[2-(ethylcarbamoylamino)-6-fluoro-1H-benzimidazol-5-yl]imidazole-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-[2-(ethylcarbamoylamino)-6-fluoro-1H-benzimidazol-5-yl]imidazole-4-carboxamide?
The canonical SMILES for N-cyclopropyl-1-[2-(ethylcarbamoylamino)-6-fluoro-1H-benzimidazol-5-yl]imidazole-4-carboxamide is CCNC(=O)Nc1nc2cc(-n3cnc(C(=O)NC4CC4)c3)c(F)cc2[nH]1.
What is the InChIKey of N-cyclopropyl-1-[2-(ethylcarbamoylamino)-6-fluoro-1H-benzimidazol-5-yl]imidazole-4-carboxamide?
The InChIKey is ULFIHHOZULSWER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN7O2/c1-2-19-17(27)24-16-22-11-5-10(18)14(6-12(11)23-16)25-7-13(20-8-25)15(26)21-9-3-4-9/h5-9H,2-4H2,1H3,(H,21,26)(H3,19,22,23,24,27).
What are the key properties of N-cyclopropyl-1-[2-(ethylcarbamoylamino)-6-fluoro-1H-benzimidazol-5-yl]imidazole-4-carboxamide?
N-cyclopropyl-1-[2-(ethylcarbamoylamino)-6-fluoro-1H-benzimidazol-5-yl]imidazole-4-carboxamide has a molecular weight of 371.38 g/mol, XLogP of 1.92, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-[2-(ethylcarbamoylamino)-6-fluoro-1H-benzimidazol-5-yl]imidazole-4-carboxamide is sourced from PubChem (CID 21366124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).